(3-Bromophenyl)sulfur pentafluoride - CAS 672-30-0
Catalog: |
BB033218 |
Product Name: |
(3-Bromophenyl)sulfur pentafluoride |
CAS: |
672-30-0 |
Synonyms: |
(3-bromophenyl)-pentafluoro-lambda6-sulfane |
IUPAC Name: | (3-bromophenyl)-pentafluoro-λ6-sulfane |
Description: | (3-Bromophenyl)sulfur pentafluoride (CAS# 672-30-0) is a reactant in the preparation of blue-to-green emitting neutral Ir(III) complexes bearing pentafluorosulfanyl groups. |
Molecular Weight: | 283.06 |
Molecular Formula: | C6H4BrF5S |
Canonical SMILES: | C1=CC(=CC(=C1)Br)S(F)(F)(F)(F)F |
InChI: | InChI=1S/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H |
InChI Key: | QRPMKEUTGAXKSD-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.831 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD03425927 |
LogP: | 5.10650 |
GHS Hazard Statement: | H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
WO-2020221209-A1 | Cd73 inhibitor, preparation method therefor and application thereof | 20190428 |
CN-113366008-A | CD73 inhibitor, preparation method and application thereof | 20190428 |
JP-2019512515-A | Small molecule inhibitors of nuclear translocation of androgen receptor for the treatment of castration resistant prostate cancer | 20160324 |
JP-2021138749-A | Small molecule inhibitor of androgen receptor nuclear translocation for the treatment of castration-resistant prostate cancer | 20160324 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.91372 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.91372 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.9 |
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